2-(5-cyclopropyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

C13H12N4 — CID 176550416

IUPAC2-(5-cyclopropyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]c(-c3cn[nH]c3C3CC3)cc2c1
InChIInChI=1S/C13H12N4/c1-2-9-6-11(16-13(9)14-5-1)10-7-15-17-12(10)8-3-4-8/h1-2,5-8H,3-4H2,(H,14,16)(H,15,17)
InChIKeyLTFGRYCKXMESRV-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.83
Rot. Bonds2

About 2-(5-cyclopropyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

2-(5-cyclopropyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 176550416) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-(5-cyclopropyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(5-cyclopropyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID176550416
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name2-(5-cyclopropyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]c(-c3cn[nH]c3C3CC3)cc2c1
InChIInChI=1S/C13H12N4/c1-2-9-6-11(16-13(9)14-5-1)10-7-15-17-12(10)8-3-4-8/h1-2,5-8H,3-4H2,(H,14,16)(H,15,17)
InChIKeyLTFGRYCKXMESRV-UHFFFAOYSA-N
XLogP2.83
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(5-cyclopropyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 176550416) is 2-(5-cyclopropyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(5-cyclopropyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(5-cyclopropyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is c1cnc2[nH]c(-c3cn[nH]c3C3CC3)cc2c1.
What is the InChIKey of 2-(5-cyclopropyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LTFGRYCKXMESRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-2-9-6-11(16-13(9)14-5-1)10-7-15-17-12(10)8-3-4-8/h1-2,5-8H,3-4H2,(H,14,16)(H,15,17).
What are the key properties of 2-(5-cyclopropyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
2-(5-cyclopropyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 224.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 176550416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).